N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C17H15N3O3 — CID 18105110

IUPACN-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H15N3O3/c21-17(11-5-6-14-15(9-11)23-8-7-22-14)18-10-16-19-12-3-1-2-4-13(12)20-16/h1-6,9H,7-8,10H2,(H,18,21)(H,19,20)
InChIKeyQVZNLGNFFUDLLH-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.26
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 18105110) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID18105110
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H15N3O3/c21-17(11-5-6-14-15(9-11)23-8-7-22-14)18-10-16-19-12-3-1-2-4-13(12)20-16/h1-6,9H,7-8,10H2,(H,18,21)(H,19,20)
InChIKeyQVZNLGNFFUDLLH-UHFFFAOYSA-N
XLogP2.26
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 51205051
N-(1H-benzimidazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3547940
N-[3-(1H-benzimidazol-2-ylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 122179127
N-(1H-benzimidazol-2-ylmethyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 18105129
N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 21008804
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
N-[(5-phenyl-1H-imidazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 49494521
N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide
CID 117088058
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 21008774
N-(1H-benzimidazol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18105228

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 18105110) is N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(NCc1nc2ccccc2[nH]1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is QVZNLGNFFUDLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-17(11-5-6-14-15(9-11)23-8-7-22-14)18-10-16-19-12-3-1-2-4-13(12)20-16/h1-6,9H,7-8,10H2,(H,18,21)(H,19,20).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 18105110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).